SCHEMBL24310316

SCHEMBL24310316

Cc1cccc(C)c1-c1cc(Oc2cc(C(N)=O)ccc2Cl)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ GAA P10253 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ PCTP Q9UKL6 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GPR27 Q9NS67 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29566632 1.00 TSHR (0.45) TSHRSMN1; SMN2PTGDR2GAAPKM
SCHEMBL24309280 0.94 TSHR (0.46) TSHRSMN1; SMN2GAAPKMPCTP
SCHEMBL29567236 0.94 TSHR (0.46) TSHRSMN1; SMN2GAAPKMPCTP
SCHEMBL29567146 0.91 TSHR (0.44) TSHRSMN1; SMN2PTGDR2GAAPKM
SCHEMBL24309276 0.91 TSHR (0.44) TSHRSMN1; SMN2PTGDR2GAAPKM
SCHEMBL24310281 0.87 FABP4 (0.40) TSHRSMN1; SMN2POLBLMNAMEN1
SCHEMBL29566650 0.87 FABP4 (0.40) TSHRSMN1; SMN2POLBLMNAMEN1
SCHEMBL26807185 0.86 TSHR (0.39) TSHRSMN1; SMN2GAAPKMPOLB
SCHEMBL29566728 0.85 SRC (0.43) TSHRSMN1; SMN2GAALMNANPSR1
SCHEMBL24310526 0.84 PCTP (0.39) TSHRSMN1; SMN2GAAPKMPCTP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TSHR 1755/4885SMN1; SMN2 4847/4885PTGDR2 1067/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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